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Name	Aziridinylquinone	EINECS	N/A
CAS No.	57998-68-2	Density	1.45g/cm³
PSA	116.82000	LogP	0.34240
Solubility	N/A	Melting Point	230° (dec)
Formula	C16H20 N4 O6	Boiling Point	469°Cat760mmHg
Molecular Weight	364.358	Flash Point	237.4°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intravenous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NO_x. See also CARBAMATES and ESTERS.	Risk Codes	R40
Molecular Structure		Hazard Symbols	Xn
Synonyms	1,4-Cyclohexadiene-1,4-dicarbamicacid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester (6CI,7CI); Carbamic acid,[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, diethylester (9CI); 2,5-Diaziridinyl-3,6-bis(carboethoxyamino)-1,4-benzoquinone;3,6-Diaziridinyl-2,5-bis(carboethoxyamino)-1,4-benzoquinone; AZQ;Aziridinylbenzoquinone; CI 904; Diaziquone; NSC 182986	Article Data	2

Aziridinylquinone Chemical Properties

Product Name: Aziridinylquinone (CAS NO.57998-68-2)

Molecular Formula: C₁₆H₂₀N₄O₆
Molecular Weight: 364.40g/mol
Mol File: 57998-68-2.mol
Boiling point: 469 °C at 760 mmHg
Flash Point: 237.4 °C
Density: 1.45 g/cm³
Surface Tension: 66.1 dyne/cm
Enthalpy of Vaporization: 73.13 kJ/mol
Vapour Pressure: 5.72E-09 mmHg at 25°C
XLogP3-AA: 0
H-Bond Donor: 2
H-Bond Acceptor: 8
Structure Descriptors of Aziridinylquinone (CAS NO.57998-68-2):
IUPAC Name: ethylN-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
Canonical SMILES: CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC)N3CC3
InChI: InChI=1S/C16H20N4O6/c1-3-25-15(23)17-9-11(19-5-6-19)14(22)10(18-16(24)26-4-2)12(13(9)21)20-7-8-20/h3-8H2,1-2H3,(H,17,23)(H,18,24)
InChIKey: WVYXNIXAMZOZFK-UHFFFAOYSA-N

Aziridinylquinone Toxicity Data With Reference

1.	mmo-sat 10 µg/plate	TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. 5 (1985),319.
2.	dnd-omi 1 µmol/L	PAACA3 Proceedings of the American Association for Cancer Research. 24 (1983),322.
3.	dnd-hmn:emb 50 µmol/L	PAACA3 Proceedings of the American Association for Cancer Research. 24 (1983),246.
4.	dnd-hmn:oth 75 µmol/L	CNREA8 Cancer Research. 44 (1984),4447.
5.	dnd-mus:leu 57 µmol/L	PAACA3 Proceedings of the American Association for Cancer Research. 24 (1983),246.
6.	dnd-ham:ovr 50 µmol/L	CNREA8 Cancer Research. 44 (1984),5634.
7.	dns-ham:ovr 300 nmol/L	PAACA3 Proceedings of the American Association for Cancer Research. 24 (1983),322.
8.	ipr-mus LD50:11,290 µg/kg	NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .
9.	ivn-mus LD50:10,300 µg/kg	NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB80-177934 .

Aziridinylquinone Safety Profile

Poison by intravenous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NO_x. See also CARBAMATES and ESTERS.

Aziridinylquinone Specification

Aziridinylquinone ,its CAS NO. is 57998-68-2,the synonyms is 1,4-Cyclohexadiene-1,4-dicarbamic acid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester ; 2,5-Diaziridinyl-3,6-bis(carboethoxyamino)-1,4-benzoquinone ; 3,6-Bis(carboxyamino)-2,5-diaziridinyl-1,4-benzoquinone ; 3,6-Diaziridinyl-2,5-bis(carboethoxyamino)-1,4-benzoquinone ; 5-20-01-00072 (Beilstein Handbook Reference) ; AZQ ; Aziridinyl benzoquinone ; BRN 1333277 ; CI 904 ; Diaziquona ; Diethyl 2,5-bis-(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamate ; NSC 182986 ; Carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl ester .

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